UCSF

ZINC59703697

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 25 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.92 12.94 -34.53 2 3 1 31 328.439 6
Mid Mid (pH 6-8) 3.92 12.41 -7.37 1 3 0 30 327.431 6
Mid Mid (pH 6-8) 3.92 13.34 -45.62 2 3 1 34 328.439 6
Mid Mid (pH 6-8) 3.92 13.96 -113.82 3 3 2 36 329.447 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )